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[(3as,4r,10as)-2-Amino-5,10,10-Trihydroxy-6-Imino-3a,4,8,9-Tetrahydro-3h-Pyrrolo[1,2-C]Purin-4-Yl]Methyl Carbamate

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[(3As,4R,10As)-2-Amino-5,10,10-Trihydroxy-6-Imino-3A,4,8,9-Tetrahydro-3H-Pyrrolo[1,2-C]Purin-4-Yl]Methyl Carbamate / CAS : 64296-20-4

Appearance solid UN 3172
HS 30029090 DG Class 6.1
Synonyms Neostx; 1H,10H-Pyrrolo(1,2-C)Purine-10,10-Diol,2-Amino-4-((Aminocarbonyl)Oxy)Methyl-3A,4,5,6,8,9-Hexahydro-5-Hydroxy-6-Imino-,(3As-(3Aalpha,4Alpha,10Ar*)); Neosaxitoxin; 1H,10H-Pyrrolo(1,2-C)Purine-10,10-Diol,2-Amino-4-((Aminocarbonyl)Oxy)Methyl-3A,4,5,6,8,9-Hexahydro-5-Hydroxy-6-Imino-,(3As,4R,10As); Schembl16626847; Dtxsid70880098; Smp2_000311; C17208
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Properties

Summary

Formula
C10H17N7O5
Molecular Mass
315.28600
Exact Mass
315.12900
PSA
192.24000
Logp
-2.08440
IUPAC
[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-4-yl]methyl carbamate
SMILES
C1CN2C(=[N+](C(C3C2(C1(O)O)NC(=N3)N)COC(=O)N)[O-])N

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Other Chemical Drugs

Chemical and Physical Properties

Density
2.32g/cm3
Boiling Point
684.3ºC
Flash Point
367.6ºC
Appearance
solid
Acidity and Basicity
alkalinity

Export information

HS Code
30029090
Export Rebate
13%
UN No.
3172
DG-Class
6.1
Risk Code
R26/27/28
Safety Label
T+

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